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ERA Chair at J. Heyrovsky Institute of Physical chemistry AS CR – The institutional approach towards ERA

Deliverables

PhD curriculum on nanocatalysis

A PhD curriculum in Nanocatalysis will be established with one of the major universities. PhD students will be trained and supervised at HIPC and a Student lab will be created, where PhD students praticipate in education and training of undergraduates and highschool students.

Implementation of administrative measures / institutes research strategies

The ERAChair Project will sizably contribute to the formulation of the Institutes short to longterm research strategies Clear target hereby is in combination with the other synergistic efforts ultimately put HIPC into a very strong position for national and international research funding Further the capabilities of the ERAChair will help to implement structural changes in the Institute Those will reshape and improve the support structure and the research environment of HIPC in various ways i by introducing best practices in science and human capital management ii by enhancing the openness of the researchers of the Institute for exchange of ideas and to facilitate more effective and broader cooperation within the Institute as well as at the national and international level iii by developing more transparent and streamlined administrative managerial and advisory structure at the Institute level to create an efficient support system for the research activities of the departments The overarching goal is to significantly enhance the scientific impact of HIPC and to position the Institute at the cutting edge of Czech research performing organizations and fully integrate and anchor HIPC as an equal respected and valuable research partner within the European landscape of excelling research Institutes Detailed information on these issues will form an obligatory part of the Project progress reports

Inauguration of the Nanocatalysis lab

The inauguration of the lab will be a public festive event with the reconstruction of the laboratory facilities completed, with all the instrumentation in place, and all the staff being hired.

Research program in Nanocatalysis

Tee ERA Chair will draft a Research program for the new department of nanocatalysis for the period of the project. It will describe the scientific merit of the work, indicate the the needed resources in terms of funding, instrumentation, and laborforce. It will contain a clear timeline and specify the expected scientific outcomes. This plan will be reviewed annually, and its updates will be included into the Project progress reports.

2. Events

Summarizes the Scientific events organized by the ERAChair in the second year of the project implementation ie seminars workshops invited lectures It includes also participation of the ERAChair and of the team members in international conferencesThis report will contain also the list of the public events organized coorganized and attended by the ERAChair including short annotation of the presentations

Selection of the team members

The selection procedure for team members mirrors that of the ERA-Chair (transparency, broad advertisement, compliance with theCode etc.) with some minor modifications. The two stage procedure is based on a broadly (internationally) and sufficiently long advertised vacancy and consist of a (A) Remote evaluation phase – comprising the analysis of the CVs of the candidates, the publication lists and past achievements, and eventually the motivation and recommendation letters (the remote evaluation phase may also include phone or video interviews); (B) Interview and scientific presentation – the candidate is offered the possibility to present his/her scientific results in a short presentations in front of the interested audience of the HIPC (catalysis departments); at the same time, will the candidate be invited for an obligatory interview in a closed session of the selection committee (SC). Up to five members of the team might be selected. The ERA Chair has hereby a determining role and a veto-vote.

1. Events

Summarizes the Scientific events organized by the ERA-Chair in the first year of the project implementation, i.e. seminars, workshops, invited lectures. It includes also participation of the ERA-Chair and of the team members in international conferences. This report will contain also the list of the public events organized, co-organized and attended by the ERA-Chair. including short annotation of the presentations.

3. Events

Summarizes the Scientific events organized by the ERAChair in the third year of the project implementation ie seminars workshops invited lectures It includes also participation of the ERAChair and of the team members in international conferencesThis report will contain also the list of the public events organized coorganized and attended by the ERAChair including short annotation of the presentations

2. Selection of team members

Should the procedure described under D21 fail to identify and recruit all five team members it will be repeated every 6 month untill all the empty positions are filled This procedure also applies to fill the vacancy if one of the team members decides to leave

The PAB established

The project advisory board (PAB) will be established straight from the beginning of the project implementation to allow monitoring of the project from its very early stages. The PAB will have an advisory role to play within the selection procedure of the ERA chair (one member of the PAB is member of the Selection committee, all others will review the CV and any other materials of the preselected candidates).

Researchers night

Dissemination and popularization of science will be covered by the participation in the annual Researchers Night event organized by the HIPC The project will provide uptodate information about the topics pursued about the accomplishments and highlights in the form of brief and illustrated summaries suited for a broad audience

Student exchange program

New programs on nanocatalysis related topics will be grounded University students will be attracted to perform research at HIPC through visits to the Institute work in dedicated student labs and on small projects and summer schools Educationaltraining programs for undergrad and PhD students will be codesigned with existing and new collaborating academic institutions including the other departments of the Institute Mentoring and tutoring of high school students will take place in various forms such as visits and lectures by staff at high schools visits of high school students and teachers to HIPC including work on small research projects and in the dedicated student labs The student exchange program will continue over the entire duration of the project Information on this topic will flow into the Annual project progress report

Building international relations

The number of newly established international cooperation (exchanges, joint publications, visits, formalized contracts, etc.) of HIPC in the field of nano catalysis initiated by the ERA Chair project will be reported reported. Further changes will be reported in the Project progress reports.

Summer schools

A part of training in nanocatalysis for selected students will be work in dedicated student labs and on small research projects and participation in summer schools where also training in complementary skills will be provided These training programs will be codesigned by students in collaboration with other academic institutions The summerschools will continue over the entire duration of the project Information on this topic will flow into the Annual project progress report

international workshop on nanocatalysis

An international workshop on nanocatalysis will be organized annually as part of the J Heyrovsk Chair project in collaboration with national and international partners aiming to also involve industrial partners The meetings to be held at one of the facilities of the Academy of sciences

ERA-Chair - PEXED partner event

The ERA Chair will organize one event within the PEXED PopularizationExperimentalEducation scheme at HIPC

Dedicated WEB

A dedicated WEB pages will be created to increase the visibility of the ERA-Chair project. The project accomplishments will be highlighted on the main webpage of HIPC and crosslinked to the WEB-page of the ERA-Chair project. Those accomplishments will be further promoted by using social media and academic and professional networks such as ResearchGate, Academia, Mendeley, LinkedIn, GoogleScholar, blogs in news media.

Public Engagement Day / Nanocatalysis Day

The first public Engagement day (Nanocatalysis day) will introduce the project to the scientific audience and broader public in context of the dissemination and awareness rising activities of the HIPC and of the Academy of Sciences. It will continue to be held annually.

Publications

Probing Active Sites in CuxPdy Cluster Catalysts by Machine-Learning-Assisted X-ray Absorption Spectroscopy

Author(s): Yang Liu, Avik Halder, Soenke Seifert, Nicholas Marcella, Stefan Vajda, Anatoly I. Frenkel
Published in: ACS Applied Materials & Interfaces, 2021, 13, 45, 2021, Page(s) 53363–53374, ISSN 1944-8252
Publisher: ACS Publicatons
DOI: 10.1021/acsami.1c06714

Catalytic properties of model supported nanoparticles

Author(s): Charles T. Campbell, Núria López, Stefan Vajda
Published in: The Journal of Chemical Physics, 152/14, 2020, Page(s) 140401, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0007579

Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics

Author(s): Avik Halder, Mai‐Anh Ha, Huanchen Zhai, Bing Yang, Michael J. Pellin, Sönke Seifert, Anastassia N. Alexandrova, Stefan Vajda
Published in: ChemCatChem, 12/5, 2020, Page(s) 1307-1315, ISSN 1867-3880
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/cctc.201901795

CO2 Methanation on Cu-Cluster Decorated Zirconia Supports with Different Morphology: A Combined Experimental In Situ GIXANES/GISAXS, Ex Situ XPS and Theoretical DFT Study

Author(s): Avik Halder, Cristina Lenardi, Janis Timoshenko, Antonija Mravak, Bing Yang, Lakshmi K Kolipaka, Claudio Piazzoni, Sönke Seifert, Vlasta Bonačić-Koutecký, Anatoly I. Frenkel, Paolo Milani, and Stefan Vajda
Published in: ACS Catalysis, 2021 11 (10), 2021, Page(s) 6210-6224, ISSN 2155-5435
Publisher: American Chemical Society
DOI: 10.1021/acscatal.0c05029

Reverse Semi‐Combustion Driven by Titanium Dioxide‐Ionic Liquid Hybrid Photocatalyst

Author(s): Muhammad I. Qadir, Marcileia Zanatta, Jose Pinto, Isabel Vicente, Aitor Gual, Emily F. Smith, Brenno A. D. Neto, Paulo E. N. Souza, Sherdil Khan, Jairton Dupont, Jesum Alves Fernandes
Published in: ChemSusChem, 13/20, 2020, Page(s) 5580-5585, ISSN 1864-5631
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cssc.202001717

In Situ Formed Ir 3 Li Nanoparticles as Active Cathode Material in Li–Oxygen Batteries

Author(s): Avik Halder, Anh T. Ngo, Xiangyi Luo, Hsien-Hau Wang, J. G. Wen, Pedram Abbasi, Mohammad Asadi, Chengji Zhang, Dean Miller, Dongzhou Zhang, Jun Lu, Paul C. Redfern, Kah Chun Lau, Rachid Amine, Rajeev S. Assary, Yun Jung Lee, Amin Salehi-Khojin, Stefan Vajda, Khalil Amine, Larry A. Curtiss
Published in: The Journal of Physical Chemistry A, 123/46, 2019, Page(s) 10047-10056, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.9b06875

In Situ Formed Ir 3 Li Nanoparticles as Active Cathode Material in Li–Oxygen Batteries

Author(s): Avik Halder, Anh T. Ngo, Xiangyi Luo, Hsien-Hau Wang, J. G. Wen, Pedram Abbasi, Mohammad Asadi, Chengji Zhang, Dean Miller, Dongzhou Zhang, Jun Lu, Paul C. Redfern, Kah Chun Lau, Rachid Amine, Rajeev S. Assary, Yun Jung Lee, Amin Salehi-Khojin, Stefan Vajda, Khalil Amine, Larry A. Curtiss
Published in: The Journal of Physical Chemistry A, 2019, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.9b06875

Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning

Author(s): Yang Liu, Nicholas Marcella, Janis Timoshenko, Avik Halder, Bing Yang, Lakshmi Kolipaka, Michael. J. Pellin, Soenke Seifert, Stefan Vajda, Ping Liu, Anatoly I. Frenkel
Published in: The Journal of Chemical Physics, 151/16, 2019, Page(s) 164201, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5126597

Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics

Author(s): Avik Halder, Mai-Anh Ha, Huanchen Zhai, Bing Yang, Michael J. Pellin, Sönke Seifert, Anastassia N Alexandrova, Stefan Vajda
Published in: ChemCatChem, 2019, ISSN 1867-3880
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/cctc.201901795

Dynamic Interplay between Copper Tetramers and Iron Oxide Boosting CO 2 Conversion to Methanol and Hydrocarbons under Mild Conditions

Author(s): Bing Yang, Xin Yu, Avik Halder, Xiaoben Zhang, Xiong Zhou, Gilbère J. A. Mannie, Eric Tyo, Michael J. Pellin, Soenke Seifert, Dangsheng Su, Stefan Vajda
Published in: ACS Sustainable Chemistry & Engineering, 7/17, 2019, Page(s) 14435-14442, ISSN 2168-0485
Publisher: American Chemical Society
DOI: 10.1021/acssuschemeng.9b01561

Structural reversibility of Cu doped NU-1000 MOFs under hydrogenation conditions

Author(s): Avik Halder, Sungsik Lee, Bing Yang, Michael J. Pellin, Stefan Vajda, Zhanyong Li, Ying Yang, Omar K. Farha, Joseph T. Hupp
Published in: The Journal of Chemical Physics, 152/8, 2020, Page(s) 084703, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5130600

Fast CO2 hydrogenation to formic acid catalyzed by an Ir(PSiP) pincer hydride in a DMSO/water/ionic liquid solvent system

Author(s): Rodrigo Webber, Muhammad I. Qadir, Eduardo Sola, Marta Martín, Elizabeth Suárez, Jairton Dupont
Published in: Catalysis Communications, 146, 2020, Page(s) 106125, ISSN 1566-7367
Publisher: Elsevier BV
DOI: 10.1016/j.catcom.2020.106125

Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight

Author(s): Borna Zandkarimi, Geng Sun, Avik Halder, Soenke Seifert, Stefan Vajda, Philippe Sautet, Anastassia N. Alexandrova
Published in: The Journal of Physical Chemistry C, 124/18, 2020, Page(s) 10057-10066, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.0c02823

Use of an optofluidic microreactor and Cu nanoparticles synthesized in ionic liquid and embedded in TiO2 for an efficient photoreduction of CO2 to methanol

Author(s): Jonathan Albo, Muhammad I. Qadir, Mario Samperi, Jesum Alves Fernandes, Imanol de Pedro, Jairton Dupont
Published in: Chemical Engineering Journal, 404, 2021, Page(s) 126643, ISSN 1385-8947
Publisher: Elsevier BV
DOI: 10.1016/j.cej.2020.126643